N,N-dimethylprop-1-en-2-amine;methane;2-methylprop-1-ene;propan-2-one

C14H33NO — CID 158433612

IUPACN,N-dimethylprop-1-en-2-amine;methane;2-methylprop-1-ene;propan-2-one
SMILESC.C.C=C(C)C.C=C(C)N(C)C.CC(C)=O
InChIInChI=1S/C5H11N.C4H8.C3H6O.2CH4/c1-5(2)6(3)4;1-4(2)3;1-3(2)4;;/h1H2,2-4H3;1H2,2-3H3;1-2H3;2*1H4
InChIKeyHBYNJCZULUEMQF-UHFFFAOYSA-N
MW231.42 g/mol
LogP4.53
Rot. Bonds1

About N,N-dimethylprop-1-en-2-amine;methane;2-methylprop-1-ene;propan-2-one

N,N-dimethylprop-1-en-2-amine;methane;2-methylprop-1-ene;propan-2-one (PubChem CID 158433612) has the molecular formula C14H33NO and a molecular weight of 231.42 g/mol. Its IUPAC name is N,N-dimethylprop-1-en-2-amine;methane;2-methylprop-1-ene;propan-2-one.

Molecular Properties

Compound NameN,N-dimethylprop-1-en-2-amine;methane;2-methylprop-1-ene;propan-2-one
PubChem CID158433612
Molecular FormulaC14H33NO
Molecular Weight231.42 g/mol
Exact Mass231.26
IUPAC NameN,N-dimethylprop-1-en-2-amine;methane;2-methylprop-1-ene;propan-2-one
SMILESC.C.C=C(C)C.C=C(C)N(C)C.CC(C)=O
InChIInChI=1S/C5H11N.C4H8.C3H6O.2CH4/c1-5(2)6(3)4;1-4(2)3;1-3(2)4;;/h1H2,2-4H3;1H2,2-3H3;1-2H3;2*1H4
InChIKeyHBYNJCZULUEMQF-UHFFFAOYSA-N
XLogP4.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.42
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethylprop-1-en-2-amine;methane;2-methylprop-1-ene
CID 159548709
N,N-dimethylprop-1-en-2-amine;propan-2-one;prop-1-ene
CID 162280666
bis(N,N-dimethylmethanamine);2-methylprop-1-ene
CID 174752405
methane;tetrakis(2-methylprop-1-ene)
CID 159196476
N,N-dimethylacetamide;formaldehyde
CID 54040691
azane;N,N,2-trimethylprop-2-enamide
CID 162327856
acetic acid;2-methylprop-1-ene
CID 139328555
N,N-dimethylmethanamine;methane;2-methylprop-1-ene;propane
CID 158386035
azane;N,N-dimethylacetamide
CID 161145572
ethene;propan-2-one;titanium
CID 175481260
3-fluorobut-3-en-2-one
CID 158766969
N,N-dimethylacetamide;molecular iodine
CID 158534416

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylprop-1-en-2-amine;methane;2-methylprop-1-ene;propan-2-one?
The IUPAC name of N,N-dimethylprop-1-en-2-amine;methane;2-methylprop-1-ene;propan-2-one (CID 158433612) is N,N-dimethylprop-1-en-2-amine;methane;2-methylprop-1-ene;propan-2-one.
What is the SMILES notation for N,N-dimethylprop-1-en-2-amine;methane;2-methylprop-1-ene;propan-2-one?
The canonical SMILES for N,N-dimethylprop-1-en-2-amine;methane;2-methylprop-1-ene;propan-2-one is C.C.C=C(C)C.C=C(C)N(C)C.CC(C)=O.
What is the InChIKey of N,N-dimethylprop-1-en-2-amine;methane;2-methylprop-1-ene;propan-2-one?
The InChIKey is HBYNJCZULUEMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C4H8.C3H6O.2CH4/c1-5(2)6(3)4;1-4(2)3;1-3(2)4;;/h1H2,2-4H3;1H2,2-3H3;1-2H3;2*1H4.
What are the key properties of N,N-dimethylprop-1-en-2-amine;methane;2-methylprop-1-ene;propan-2-one?
N,N-dimethylprop-1-en-2-amine;methane;2-methylprop-1-ene;propan-2-one has a molecular weight of 231.42 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylprop-1-en-2-amine;methane;2-methylprop-1-ene;propan-2-one is sourced from PubChem (CID 158433612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).